3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid

C10H6F3N3O3 — CID 167740322

IUPAC3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)9(19)14-7-5-3-4(8(17)18)1-2-6(5)15-16-7/h1-3H,(H,17,18)(H2,14,15,16,19)
InChIKeyXQNHMJMZDPVYDW-UHFFFAOYSA-N
MW273.17 g/mol
LogP1.76
Rot. Bonds2

About 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid

3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid (PubChem CID 167740322) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid
PubChem CID167740322
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)9(19)14-7-5-3-4(8(17)18)1-2-6(5)15-16-7/h1-3H,(H,17,18)(H2,14,15,16,19)
InChIKeyXQNHMJMZDPVYDW-UHFFFAOYSA-N
XLogP1.76
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-4-({3-[3-Methyl-5-(Trifluoromethyl)phenyl]-1h-Pyrazol-5-Yl}carbamoyl)benzoic Acid
CID 91801171
4-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]benzoic acid
CID 137640287
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]benzoic acid
CID 124002327
4-{[3-(4-Fluorophenyl)-1H-Indazol-5-Yl]Carbonylamino}Benzoic Acid
CID 22479878
3-amino-1H-indazole-5-carboxylic acid hydrochloride
CID 118472627
3-amino-1H-indazole-5-carboxylic Acid
CID 11571884
6-Acetylamino-3-(3-fluoro-phenyl)-1H-indazole-5-carboxylic Acid
CID 22261055
N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175055
3-(Trifluoromethyl)-1H-indazole-5-carboxylic acid
CID 67491532
methyl 4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]benzoate
CID 68671310
4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]benzoic acid
CID 68671817
N-[5-(3,5-Difluoro-benzyl)-1-trityl-1H-indazol-3-yl]-4-fluoro-isophthalamic acid
CID 68672018

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid (CID 167740322) is 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(NC(=O)C(F)(F)F)c2c1.
What is the InChIKey of 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid?
The InChIKey is XQNHMJMZDPVYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)9(19)14-7-5-3-4(8(17)18)1-2-6(5)15-16-7/h1-3H,(H,17,18)(H2,14,15,16,19).
What are the key properties of 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid?
3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid has a molecular weight of 273.17 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroacetyl)amino]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 167740322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).